SCHEMBL9998202

SCHEMBL9998202

CC(=O)OCC(=Cc1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
FBP1 P09467 1/20 0.42
TSHR P16473 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1I2 O75469 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9998404 0.85 LMNA (0.42) MEN1KMT2AAKR1C3SMN1; SMN2NPC1
SCHEMBL9997578 0.84 KMT2A (0.49) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL9998226 0.84 CYP2C9 (0.43) AKR1C3ALDH1A1FBP1SMN1; SMN2GRIK1
SCHEMBL9998250 0.84 KDM4E (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GRIK1
SCHEMBL9998344 0.84 LMNA (0.49) MEN1KMT2AAKR1C3FBP1TSHR
SCHEMBL9997664 0.83 LMNA (0.44) MEN1KMT2AALDH1A1FBP1SMN1; SMN2
SCHEMBL9997488 0.83 AKR1C3 (0.41) MEN1KMT2AAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL9998221 0.82 FBP1 (0.44) MEN1KMT2AAKR1C3ALDH1A1FBP1
SCHEMBL9997762 0.82 PPARG (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL9998455 0.82 PKM (0.45) MEN1KMT2AAKR1C3ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 MEN1 1032/4885KMT2A 2324/4885AKR1C3 291/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.